| SpectraBase Compound ID | 3J5dZz0xx8d |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-3-4-9-14-12(13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | UYGHRCCJWWYXMY-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | F7m2had10NI |
|---|---|
| Name | p-Toluic acid, butyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-3-4-9-14-12(13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | UYGHRCCJWWYXMY-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C=1C(=CC=C(C1)C)C(OCCCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.984378 |